SCHEMBL525935

SCHEMBL525935

CCOC(=O)CCCN(CCOc1ccnc(C(O)O)c1)C(=O)CCOCCOCCOCCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.39
PDE3A Q14432 2/20 0.39
P2RY12 Q9H244 1/20 0.39
BRD4 O60885 1/20 0.38
ALOX5 P09917 1/20 0.38
CYSLTR2 Q9NS75 3/20 0.37
CYSLTR1 Q9Y271 3/20 0.37
LTA4H P09960 3/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
FAAH O00519 1/20 0.34
MMP13 P45452 1/20 0.34
PDK2 Q15119 2/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
DYRK1A Q13627 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14973529 0.93 LTA4H (0.39) PDE3BPDE3AP2RY12LTA4HDYRK1A
SCHEMBL525916 0.90 PDE3B (0.39) PDE3BPDE3AP2RY12BRD4ALOX5
SCHEMBL14973642 0.90 FFAR4 (0.35) PDE3BPDE3AP2RY12LTA4HFFAR1
SCHEMBL530478 0.89 PDE3B (0.35) PDE3BPDE3AP2RY12BRD4LTA4H
SCHEMBL525934 0.79 CYSLTR2 (0.39) PDE3BPDE3AP2RY12BRD4ALOX5
SCHEMBL525627 0.77 DYRK1A (0.37) PDE3BPDE3AP2RY12LTA4HPPARG
SCHEMBL14973627 0.77 KDM4E (0.41) PDE3BPDE3ABRD4
SCHEMBL526829 0.75 LTA4H (0.55) PDE3BPDE3AP2RY12BRD4CYSLTR2
SCHEMBL14973551 0.75 KDM4E (0.44) PDE3BPDE3ASMN1; SMN2
SCHEMBL2492660 0.74 DYRK1A (0.46) PDE3BPDE3AP2RY12LTA4HMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2598507-B1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2017-05-31 EP disclosed
US-9056914-B2 Anticancer derivatives, preparation thereof and therapeutic use thereof SANOFI (FR) 2015-06-16 US disclosed
EP-2598507-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-06-05 EP disclosed
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2013-05-30 US disclosed
WO-2012014147-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130137659-A1 ANTICANCER DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MCL1, TP53, MYC PDE3B 3420/4885PDE3A 3723/4885P2RY12 4733/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.